關(guān)于neb計算的幾篇理論知識方面的文獻
The nudged elastic band method is an efficient method for finding saddle points and the MEPs(minimum energy state) between a given initial and final state of a transition.
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The nudged elastic band method is an efficient method for finding saddle points and the MEPs(minimum energy state) between a given initial and final state of a transition.
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